5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

C17H19ClN2O2 — CID 30334540

IUPAC5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1
InChIInChI=1S/C17H19ClN2O2/c18-16-9-8-15(22-16)17(21)19-12-14(20-10-4-5-11-20)13-6-2-1-3-7-13/h1-3,6-9,14H,4-5,10-12H2,(H,19,21)/t14-/m1/s1
InChIKeyOGNINUULURUOPV-CQSZACIVSA-N
MW318.80 g/mol
LogP3.50
Rot. Bonds5

About 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide

5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (PubChem CID 30334540) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
PubChem CID30334540
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1
InChIInChI=1S/C17H19ClN2O2/c18-16-9-8-15(22-16)17(21)19-12-14(20-10-4-5-11-20)13-6-2-1-3-7-13/h1-3,6-9,14H,4-5,10-12H2,(H,19,21)/t14-/m1/s1
InChIKeyOGNINUULURUOPV-CQSZACIVSA-N
XLogP3.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-morpholin-4-yl-2-phenylethyl)furan-2-carboxamide
CID 86922955
3-[(5-chlorofuran-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62883681
5-(4-acetylphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)furan-2-carboxamide
CID 42907270
5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 39959418
5-bromo-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 35341949
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
5-(4-bromophenyl)sulfonyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 98295079
4-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 126448553
5-bromo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 34981283

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide (CID 30334540) is 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
The InChIKey is OGNINUULURUOPV-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-16-9-8-15(22-16)17(21)19-12-14(20-10-4-5-11-20)13-6-2-1-3-7-13/h1-3,6-9,14H,4-5,10-12H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide?
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 30334540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).